N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide

C13H19ClN2O — CID 107098204

IUPACN-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
SMILESCCCC(CN)NC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H19ClN2O/c1-3-5-10(8-15)16-13(17)11-6-4-7-12(14)9(11)2/h4,6-7,10H,3,5,8,15H2,1-2H3,(H,16,17)
InChIKeyPODGNPPYCVRFAH-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.51
Rot. Bonds5

About N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide

N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide (PubChem CID 107098204) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
PubChem CID107098204
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide
SMILESCCCC(CN)NC(=O)c1cccc(Cl)c1C
InChIInChI=1S/C13H19ClN2O/c1-3-5-10(8-15)16-13(17)11-6-4-7-12(14)9(11)2/h4,6-7,10H,3,5,8,15H2,1-2H3,(H,16,17)
InChIKeyPODGNPPYCVRFAH-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide (CID 107098204) is N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide is CCCC(CN)NC(=O)c1cccc(Cl)c1C.
What is the InChIKey of N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide?
The InChIKey is PODGNPPYCVRFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-5-10(8-15)16-13(17)11-6-4-7-12(14)9(11)2/h4,6-7,10H,3,5,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide?
N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide has a molecular weight of 254.76 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107098204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).